2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole

C10H14N6 — CID 126900246

IUPAC2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole
SMILESCn1ncc(CN2CC(n3cccn3)C2)n1
InChIInChI=1S/C10H14N6/c1-14-12-5-9(13-14)6-15-7-10(8-15)16-4-2-3-11-16/h2-5,10H,6-8H2,1H3
InChIKeyBPIZFWOIPFFIIF-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.07
Rot. Bonds3

About 2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole

2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole (PubChem CID 126900246) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole.

Molecular Properties

Compound Name2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole
PubChem CID126900246
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole
SMILESCn1ncc(CN2CC(n3cccn3)C2)n1
InChIInChI=1S/C10H14N6/c1-14-12-5-9(13-14)6-15-7-10(8-15)16-4-2-3-11-16/h2-5,10H,6-8H2,1H3
InChIKeyBPIZFWOIPFFIIF-UHFFFAOYSA-N
XLogP0.07
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-4-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]piperazine
CID 126892020
2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole
CID 126900310
2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 126900257
2-methyl-4-(pyrazol-1-ylmethyl)triazole
CID 130588297
1-cyclopropyl-5-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazole
CID 126900325
1-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]-4-pyridin-2-ylpiperazine
CID 126893462
2-cyclopropyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-thiazole
CID 126900196
4-bromo-3-methyl-1-[(2-methyltriazol-4-yl)methyl]piperidine
CID 130592187
5-cyclopropyl-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole
CID 126900314
2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
CID 126900260
3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 126900333
2-[[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928268

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole?
The IUPAC name of 2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole (CID 126900246) is 2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole.
What is the SMILES notation for 2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole?
The canonical SMILES for 2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole is Cn1ncc(CN2CC(n3cccn3)C2)n1.
What is the InChIKey of 2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole?
The InChIKey is BPIZFWOIPFFIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-14-12-5-9(13-14)6-15-7-10(8-15)16-4-2-3-11-16/h2-5,10H,6-8H2,1H3.
What are the key properties of 2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole?
2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole has a molecular weight of 218.26 g/mol, XLogP of 0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole is sourced from PubChem (CID 126900246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).